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Zinc in PDB 5c8i: Joint X-Ray/Neutron Structure of Human Carbonic Anhydrase II in Complex with Methazolamide

Enzymatic activity of Joint X-Ray/Neutron Structure of Human Carbonic Anhydrase II in Complex with Methazolamide

All present enzymatic activity of Joint X-Ray/Neutron Structure of Human Carbonic Anhydrase II in Complex with Methazolamide:
4.2.1.1;

Protein crystallography data

The structure of Joint X-Ray/Neutron Structure of Human Carbonic Anhydrase II in Complex with Methazolamide, PDB code: 5c8i was solved by M.Aggarwal, A.Y.Kovalevsky, S.Z.Fisher, R.Mckenna, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) N/A / 1.56
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 42.893, 41.763, 72.949, 90.00, 104.59, 90.00
R / Rfree (%) 22.5 / 27.6

Zinc Binding Sites:

The binding sites of Zinc atom in the Joint X-Ray/Neutron Structure of Human Carbonic Anhydrase II in Complex with Methazolamide (pdb code 5c8i). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total only one binding site of Zinc was determined in the Joint X-Ray/Neutron Structure of Human Carbonic Anhydrase II in Complex with Methazolamide, PDB code: 5c8i:

Zinc binding site 1 out of 1 in 5c8i

Go back to Zinc Binding Sites List in 5c8i
Zinc binding site 1 out of 1 in the Joint X-Ray/Neutron Structure of Human Carbonic Anhydrase II in Complex with Methazolamide


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Joint X-Ray/Neutron Structure of Human Carbonic Anhydrase II in Complex with Methazolamide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn301

b:11.9
occ:1.00
 N1 A:MZM302 2.0 7.8 0.7
NE2 A:HIS96 2.0 10.3 1.0
ND1 A:HIS119 2.1 11.7 1.0
NE2 A:HIS94 2.1 10.9 1.0
D1 A:MZM302 2.6 10.0 0.8
H1 A:MZM302 2.6 10.0 0.2
CD2 A:HIS96 3.0 13.5 1.0
CE1 A:HIS119 3.0 8.9 1.0
CE1 A:HIS96 3.0 9.3 1.0
CD2 A:HIS94 3.1 12.8 1.0
S1 A:MZM302 3.1 12.4 1.0
CE1 A:HIS94 3.1 11.8 1.0
HE1 A:HIS119 3.1 9.7 1.0
O1 A:MZM302 3.2 7.2 0.5
HD2 A:HIS96 3.2 12.5 1.0
CG A:HIS119 3.2 11.1 1.0
HD2 A:HIS94 3.2 11.1 1.0
HB2 A:HIS119 3.3 10.1 1.0
HE1 A:HIS96 3.3 9.1 1.0
HE1 A:HIS94 3.4 8.4 1.0
HG1 A:THR199 3.6 11.7 0.7
DG1 A:THR199 3.6 11.7 0.3
CB A:HIS119 3.6 10.7 1.0
HB3 A:HIS119 3.7 11.0 1.0
OG1 A:THR199 3.9 11.7 1.0
OE1 A:GLU106 4.0 11.8 1.0
ND1 A:HIS96 4.1 10.0 1.0
CG A:HIS96 4.1 11.1 1.0
HH2 A:TRP209 4.1 14.0 1.0
NE2 A:HIS119 4.2 11.0 1.0
O2 A:MZM302 4.2 10.5 0.9
C1 A:MZM302 4.2 9.9 0.2
ND1 A:HIS94 4.2 10.0 1.0
CG A:HIS94 4.2 12.4 1.0
CD2 A:HIS119 4.3 9.7 1.0
HG23 A:THR200 4.7 16.9 1.0
HG13 A:VAL143 4.9 11.4 1.0
CD A:GLU106 4.9 13.5 1.0
N3 A:MZM302 4.9 14.8 1.0

Reference:

M.Aggarwal, A.Y.Kovalevsky, H.Velazquez, S.Z.Fisher, J.C.Smith, R.Mckenna. Neutron Structure of Human Carbonic Anhydrase II in Complex with Methazolamide: Mapping the Solvent and Hydrogen-Bonding Patterns of An Effective Clinical Drug. Iucrj V. 3 319 2016.
ISSN: ESSN 2052-2525
PubMed: 28461893
DOI: 10.1107/S2052252516010514
Page generated: Wed Dec 16 06:06:16 2020

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